N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine

C17H24FN — CID 142298286

IUPACN-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine
SMILESC=C(F)/C=C\C(=C)C(=C)CCN(C)C1C=C(C)CC1
InChIInChI=1S/C17H24FN/c1-13-6-9-17(12-13)19(5)11-10-15(3)14(2)7-8-16(4)18/h7-8,12,17H,2-4,6,9-11H2,1,5H3/b8-7-
InChIKeyUNBLOMLCKRZTON-FPLPWBNLSA-N
MW261.38 g/mol
LogP4.57
Rot. Bonds7

About N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine

N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine (PubChem CID 142298286) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine.

Molecular Properties

Compound NameN-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine
PubChem CID142298286
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine
SMILESC=C(F)/C=C\C(=C)C(=C)CCN(C)C1C=C(C)CC1
InChIInChI=1S/C17H24FN/c1-13-6-9-17(12-13)19(5)11-10-15(3)14(2)7-8-16(4)18/h7-8,12,17H,2-4,6,9-11H2,1,5H3/b8-7-
InChIKeyUNBLOMLCKRZTON-FPLPWBNLSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine with MolForge

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Related Compounds

3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
1-fluoro-N-(fluoromethyl)-N-hexylcyclohexa-2,4-dien-1-amine
CID 17948295
1-fluoro-N-hexyl-N-methylcyclohexa-2,4-dien-1-amine
CID 17948373
N-butyl-1-fluoro-N-hexylcyclohexa-2,4-dien-1-amine
CID 17948392
1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine
CID 23123430
N-ethyl-1-fluoro-N-nonylcyclohexa-2,4-dien-1-amine
CID 23123695
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
2-(5-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1-methylpyrrolidine
CID 123245342
1-Buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123874356
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
CID 129295738

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine?
The IUPAC name of N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine (CID 142298286) is N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine.
What is the SMILES notation for N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine?
The canonical SMILES for N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine is C=C(F)/C=C\C(=C)C(=C)CCN(C)C1C=C(C)CC1.
What is the InChIKey of N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine?
The InChIKey is UNBLOMLCKRZTON-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H24FN/c1-13-6-9-17(12-13)19(5)11-10-15(3)14(2)7-8-16(4)18/h7-8,12,17H,2-4,6,9-11H2,1,5H3/b8-7-.
What are the key properties of N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine?
N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine is sourced from PubChem (CID 142298286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).